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	hartrees
Energy at 0K	-152.556711
Energy at 298.15K	-152.559454
HF Energy	-152.087371
Nuclear repulsion energy	36.394885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3873	3787
2	A'	3779	3695
3	A'	3710	3627
4	A'	1657	1620
5	A'	1638	1602
6	A'	355	347
7	A'	183	179
8	A'	146	142
9	A"	3893	3806
10	A"	630	616
11	A"	146	143
12	A"	131	129

Atom	x (Å)	y (Å)	z (Å)
H1	0.101	0.557	0.000
O2	0.000	1.525	0.000
O3	0.000	-1.400	0.000
H4	0.907	1.859	0.000
H5	-0.507	-1.708	0.763
H6	-0.507	-1.708	-0.763

	H1	O2	O3	H4	H5	H6
H1		0.9725	1.9597	1.5305	2.4666	2.4666
O2	0.9725		2.9244	0.9658	3.3600	3.3600
O3	1.9597	2.9244		3.3821	0.9673	0.9673
H4	1.5305	0.9658	3.3821		3.9118	3.9118
H5	2.4666	3.3600	0.9673	3.9118		1.5269
H6	2.4666	3.3600	0.9673	3.9118	1.5269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	O2	H4	104.304	H1	O3	H5	110.186
H1	O3	H6	110.186	O2	H1	O3	171.126
H5	O3	H6	104.235

All results from a given calculation for H₂OH₂O (water dimer)

using model chemistry: QCISD(T)/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for H2OH2O (water dimer)

using model chemistry: QCISD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂OH₂O (water dimer)